Bond relaxation and electronic properties of T type WTe$_2$/MoS$_2$ heterostructure using BOLS BB and BC model

TL;DR

This paper investigates the electronic properties and bond relaxation phenomena in T type WTe₂/MoS₂ heterostructures using combined bond models, topological concepts, and DFT calculations to provide new insights into their electronic states.

Contribution

It introduces a novel approach combining bond models and topological analysis to describe electronic properties of T type heterostructures.

Findings

Identification of nonbonding, bonding, and antibonding states.

Application of energy band projection and electronic entropy analysis.

New methodology for analyzing heterostructure electronic properties.

Abstract

We combined the bond order length strength and bond charge models and the topological concept to obtain the nonbonding, bonding, and antibonding states of the T type WTe$_2$/MoS$_2$ heterostructure.The energy band projection method and electronic information entropy are remarkable approaches for analyzing the electronic properties of various structures based on DFT calculations. This study provides a new way to describe the electronic properties of T type heterostructures and calculate the electron and bonding state probabilities.